Schoettl, Sebastian and Horinek, Dominik (2018) Salt effects in surfactant-free microemulsions. JOURNAL OF CHEMICAL PHYSICS, 148 (22): 222818. ISSN 0021-9606, 1089-7690
Full text not available from this repository. (Request a copy)Abstract
The weakly associated micellar aggregates found in the so-called "pre-ouzo region" of the surfactant-free microemulsion water/ethanol/1-octanol are sensitive to changes in the system composition and also to the presence of additives like salt. In this work, we study the influence of two salts, sodium iodide and lithium chloride, on aggregates in water/ethanol/1-octanol by molecular dynamics simulations. In both cases, ethanol concentration in the nonpolar phase and at the interface is increased due to a salting out effect on ethanol in the aqueous pseudo-phase. In addition, minor charging of the interface as a consequence of differential adsorption of anions and cations occurs. However, this charge separation is overall weakened by the erratic surface of octanol aggregates, where polar hydroxyl groups and hydrophobic patches are both present. Furthermore, ethanol at the interface shields hydrophobic patches and reduces the preferential adsorption of iodide and lithium. Published by AIP Publishing.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | WATER-OIL MICROEMULSIONS; MOLECULAR-DYNAMICS SIMULATIONS; NANO-DROPLET FORMATION; DETERGENTLESS MICROEMULSIONS; ENZYMATIC-REACTIONS; TERNARY-SYSTEMS; PHASE-DIAGRAM; FORCE-FIELD; AGGREGATION; 2-PROPANOL; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Dominik Horinek |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 17 Feb 2020 09:45 |
| Last Modified: | 17 Feb 2020 09:45 |
| URI: | https://pred.uni-regensburg.de/id/eprint/14399 |
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